howto:compile_on_mac
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howto:compile_on_mac [2018/04/10 11:00] – [3.Compilation with Cygwin] jglan | howto:compile_on_mac [2022/11/20 15:05] (current) – created krack | ||
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- | ====== How to Compile and Install CP2K on Windows with Cygwin ====== | + | This how-to page has been replaced |
- | + | ||
- | ===== 1.Acquiring the code ===== | + | |
- | Visit [[https:// | + | |
- | ====1.1 Download from Sourceforge ==== | + | |
- | If one get the distribution from [[https:// | + | |
- | < | + | |
- | tar -xvf cp2k-2.x.x.tar.bz2 | + | |
- | </ | + | |
- | + | ||
- | + | ||
- | ==== 1.2 Download using SVN Access ==== | + | |
- | <note warning> | + | |
- | The code in SVN is under constant development. Check the [[http:// | + | |
- | </ | + | |
- | + | ||
- | The latest and all prior versions are available from the [[https:// | + | |
- | + | ||
- | Check out only a needed branch (the branch will then be in cp2k/cp2k). | + | |
- | + | ||
- | * current trunk: < | + | |
- | + | ||
- | These branches can be updated to their latest version in the following way: | + | |
- | < | + | |
- | cd cp2k/cp2k | + | |
- | svn update | + | |
- | </ | + | |
- | + | ||
- | Alternatively, | + | |
- | < | + | |
- | svn checkout http:// | + | |
- | </ | + | |
- | Analogous checkouts work for the branch versions. | + | |
- | + | ||
- | The [[http:// | + | |
- | on your machine for this to work. | + | |
- | + | ||
- | + | ||
- | ===== 3.Compilation with Cygwin ===== | + | |
- | An example CP2K ARCH file for a serial build of CP2K on Mac is as follows: | + | |
- | < | + | |
- | # With GCC 4.9 or later, for gcc and gfortran | + | |
- | # libxc is installed in LIBXC_INCLUDE_DIR / LIBXC_LIB_DIR | + | |
- | # libint is installed in LIBINT_LIB_DIR | + | |
- | CC = gcc | + | |
- | CPP = | + | |
- | FC = gfortran | + | |
- | LD = gfortran | + | |
- | AR = ar -r | + | |
- | RANLIB | + | |
- | DFLAGS | + | |
- | FCFLAGS | + | |
- | | + | |
- | LDFLAGS | + | |
- | LIBS = -framework Accelerate | + | |
- | + | ||
- | </ | + | |
- | Remove the -D__LIBXC -D__LIBINT flag if you compile CP2K. Save it as '' | + | |
- | Launch the Terminal and change the working directory to '' | + | |
- | < | + | |
- | make ARCH=Darwin-IntelMacintosh-gfortran VERSION=sopt | + | |
- | </ | + | |
- | It may take quite a while until a compilation is completed. | + | |
- | If you find '' | + | |
- | ===== 4.Installation CP2K on Windows PC which not installed Cygwin ===== | + | |
- | By using either cygcheck command (cygcheck / | + | |
- | The following six DLLs may be required to run the cp2k.sopt without Cygwin installation, | + | |
- | *cygwin\lib\lapack\cygblas-0.dll | + | |
- | *cygwin\bin\cygwin1.dll | + | |
- | *cygwin\bin\cyggfortran-3.dll | + | |
- | *cygwin\bin\cygquadmath-0.dll | + | |
- | *cygwin\bin\cyggcc_s-1.dll | + | |
- | *cygwin\lib\lapack\cyglapack-0.dll | + | |
- | Copy these DLLs (except Windows system DLLs) to the same directory as '' | + | |
- | Pressing SHIFT key right-click '' | + | |
- | And you type on the command prompt: | + | |
- | < | + | |
- | Then you might see: | + | |
- | < | + | |
- | CP2K version 2.X | + | |
- | SVN source code revision svn:XXXXX | + | |
- | </ | + | |
- | Congratulations! You can now run CP2K on Windows. | + |
howto/compile_on_mac.1523358018.txt.gz · Last modified: 2020/08/21 10:15 (external edit)